Vitas-M small molecule compound
ethyl (2Z)-5-(4-chlorophenyl)-2-(3-ethoxy-4-hydroxy-5-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522589
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1cc(I)c(c(c1)OCC)O)/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H22ClIN2O5S MW 624.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClIN2O5S/c1-4-33-18-11-14(10-17(27)22(18)30)12-19-23(31)29-21(15-6-8-16(26)9-7-15)20(24(32)34-5-2)13(3)28-25(29)35-19/h6-12,21,30H,4-5H2,1-3H3/b19-12-InChIKey
NNRUTYNQKUQNMO-UNOMPAQXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc(I)c(c(c1)OCC)O)s2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)Cl)I)O
ETHYL(2Z)5(4CHLOROPHENYL)2((3ETHOXY4HYDROXY5IODOPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(4chlorophenyl)2(3ethoxy4hydroxy5iodobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H22ClIN2O5Sc1433181114(1017(27)22(18)30)121923(31)2921(156816(26)9715)20(24(32)3452)13(3)2825(29)3519h6122130H45H213H3b1912
MFCD01592483
ZINC000150439616
ZINC000150439622
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